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Name | Calcitonin gene-related peptide type 1 receptor |
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Species | Homo sapiens (Human) |
Gene | CALCRL |
Synonym | CRLR CLR (unofficial abbreviation in common use) CGRP type 1 receptor Calcitonin receptor-like receptor |
Disease | Migraine; Cluster headaches Migraine |
Length | 461 |
Amino acid sequence | MEKKCTLNFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN |
UniProt | Q16602 |
Protein Data Bank | 3n7r, 6e3y, 6d1u, 5v6y, 4rwg, 4rwf, 3n7s |
GPCR-HGmod model | Q16602 |
3D structure model | This structure is from PDB ID 3n7r. |
BioLiP | BL0314647, BL0314642, BL0314643,BL0314645,BL0314648, BL0314644,BL0314646,BL0314649, BL0403127,BL0403130,BL0403133,, BL0403128,BL0403131,BL0403134,, BL0403129,BL0403132,BL0403135,, BL0425957,BL0425959,BL0425961, BL0425958,BL0425960,BL0425962, BL0427207,BL0427208, BL0314641, BL0183084, BL0183083, BL0183080, BL0183079 |
Therapeutic Target Database | T32262 |
ChEMBL | CHEMBL3798 |
IUPHAR | N/A |
DrugBank | BE0009009 |
Name | NSC157267 |
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Molecular formula | C13H16ClNO2 |
IUPAC name | (E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide |
Molecular weight | 253.726 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | AKOS005832485 NSC-157267 (E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide AC1O3OFM CHEMBL3884786 |
Inchi Key | PRRQIMZFWXXIRY-VMPITWQZSA-N |
Inchi ID | InChI=1S/C13H16ClNO2/c1-2-12(9-16)15-13(17)8-5-10-3-6-11(14)7-4-10/h3-8,12,16H,2,9H2,1H3,(H,15,17)/b8-5+ |
PubChem CID | 6310476 |
ChEMBL | CHEMBL3884786 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | -12.0 % | PMID27876250 | ChEMBL |
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